data_31008 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 31008 _Entry.Title ; DENV1 SLA RNA (DenvSLATL) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-04-06 _Entry.Accession_date 2022-04-06 _Entry.Last_release_date 2022-05-03 _Entry.Original_release_date 2022-05-03 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Y. Sun Y. T. . . 31008 2 G. Varani G. . . . 31008 3 . 'Seattle Structural Genomics Center for Infectious Disease (SSGCID)' . . . . 31008 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID "5' UTR" . 31008 'NS5 promoter' . 31008 RNA . 31008 SLA . 31008 flavivirus . 31008 'viral replication' . 31008 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 31008 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 185 31008 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-11-01 2022-04-06 update BMRB 'update entry citation' 31008 1 . . 2022-06-30 2022-04-06 original author 'original release' 31008 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7UMC 'BMRB Entry Tracking System' 31008 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 31008 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35750488 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structure of the Dengue Virus RNA Promoter ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev RNA _Citation.Journal_name_full . _Citation.Journal_volume 28 _Citation.Journal_issue 9 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1210 _Citation.Page_last 1223 _Citation.Year 2022 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Y. Sun Y. T. . . 31008 1 2 G. Varani G. . . . 31008 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 31008 _Assembly.ID 1 _Assembly.Name 'RNA (70-MER)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 31008 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 31008 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGAGUGGUUAGUCUACGUGG ACCGACAAGACUUCGGUCGA AUCGGAAGGAAACUUAACGU AGUUCUAACC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 70 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 22614.471 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . G . 31008 1 2 . G . 31008 1 3 . A . 31008 1 4 . G . 31008 1 5 . U . 31008 1 6 . G . 31008 1 7 . G . 31008 1 8 . U . 31008 1 9 . U . 31008 1 10 . A . 31008 1 11 . G . 31008 1 12 . U . 31008 1 13 . C . 31008 1 14 . U . 31008 1 15 . A . 31008 1 16 . C . 31008 1 17 . G . 31008 1 18 . U . 31008 1 19 . G . 31008 1 20 . G . 31008 1 21 . A . 31008 1 22 . C . 31008 1 23 . C . 31008 1 24 . G . 31008 1 25 . A . 31008 1 26 . C . 31008 1 27 . A . 31008 1 28 . A . 31008 1 29 . G . 31008 1 30 . A . 31008 1 31 . C . 31008 1 32 . U . 31008 1 33 . U . 31008 1 34 . C . 31008 1 35 . G . 31008 1 36 . G . 31008 1 37 . U . 31008 1 38 . C . 31008 1 39 . G . 31008 1 40 . A . 31008 1 41 . A . 31008 1 42 . U . 31008 1 43 . C . 31008 1 44 . G . 31008 1 45 . G . 31008 1 46 . A . 31008 1 47 . A . 31008 1 48 . G . 31008 1 49 . G . 31008 1 50 . A . 31008 1 51 . A . 31008 1 52 . A . 31008 1 53 . C . 31008 1 54 . U . 31008 1 55 . U . 31008 1 56 . A . 31008 1 57 . A . 31008 1 58 . C . 31008 1 59 . G . 31008 1 60 . U . 31008 1 61 . A . 31008 1 62 . G . 31008 1 63 . U . 31008 1 64 . U . 31008 1 65 . C . 31008 1 66 . U . 31008 1 67 . A . 31008 1 68 . A . 31008 1 69 . C . 31008 1 70 . C . 31008 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . G 1 1 31008 1 . G 2 2 31008 1 . A 3 3 31008 1 . G 4 4 31008 1 . U 5 5 31008 1 . G 6 6 31008 1 . G 7 7 31008 1 . U 8 8 31008 1 . U 9 9 31008 1 . A 10 10 31008 1 . G 11 11 31008 1 . U 12 12 31008 1 . C 13 13 31008 1 . U 14 14 31008 1 . A 15 15 31008 1 . C 16 16 31008 1 . G 17 17 31008 1 . U 18 18 31008 1 . G 19 19 31008 1 . G 20 20 31008 1 . A 21 21 31008 1 . C 22 22 31008 1 . C 23 23 31008 1 . G 24 24 31008 1 . A 25 25 31008 1 . C 26 26 31008 1 . A 27 27 31008 1 . A 28 28 31008 1 . G 29 29 31008 1 . A 30 30 31008 1 . C 31 31 31008 1 . U 32 32 31008 1 . U 33 33 31008 1 . C 34 34 31008 1 . G 35 35 31008 1 . G 36 36 31008 1 . U 37 37 31008 1 . C 38 38 31008 1 . G 39 39 31008 1 . A 40 40 31008 1 . A 41 41 31008 1 . U 42 42 31008 1 . C 43 43 31008 1 . G 44 44 31008 1 . G 45 45 31008 1 . A 46 46 31008 1 . A 47 47 31008 1 . G 48 48 31008 1 . G 49 49 31008 1 . A 50 50 31008 1 . A 51 51 31008 1 . A 52 52 31008 1 . C 53 53 31008 1 . U 54 54 31008 1 . U 55 55 31008 1 . A 56 56 31008 1 . A 57 57 31008 1 . C 58 58 31008 1 . G 59 59 31008 1 . U 60 60 31008 1 . A 61 61 31008 1 . G 62 62 31008 1 . U 63 63 31008 1 . U 64 64 31008 1 . C 65 65 31008 1 . U 66 66 31008 1 . A 67 67 31008 1 . A 68 68 31008 1 . C 69 69 31008 1 . C 70 70 31008 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 31008 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 11053 organism . 'Dengue virus 1' 'Dengue virus 1' . . Viruses . Flavivirus 'Dengue virus 1' . . . . . . . . . . . . . 31008 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 31008 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . 31008 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 31008 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM RNA (70-MER), 10 mM potassium phosphate, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (70-MER)' 'natural abundance' 1 $assembly 1 $entity_1 . . 1 . . mM . . . . 31008 1 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 31008 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 31008 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-2H] RNA (70-MER), 10 mM potassium phosphate, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (70-MER)' [U-2H] 1 $assembly 1 $entity_1 . . 1 . . mM . . . . 31008 2 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 31008 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 31008 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM RNA (70-MER), 10 mM potassium phosphate, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (70-MER)' 'natural abundance' 1 $assembly 1 $entity_1 . . 1 . . mM . . . . 31008 3 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 31008 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 31008 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 31008 1 pH 6.5 . pH 31008 1 pressure 1 . atm 31008 1 temperature 298 . K 31008 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 31008 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 31008 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 31008 1 processing . 31008 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 31008 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lee W, Tonelli M, Markley JL' . . 31008 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 31008 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 31008 _Software.ID 3 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 31008 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 31008 3 'structure calculation' . 31008 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 31008 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 31008 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 31008 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III' . 600 . . . 31008 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 800 . . . 31008 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 31008 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31008 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31008 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31008 1 4 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31008 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31008 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 31008 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.7 internal direct 1.0 . . . . . 31008 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 31008 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 31008 1 2 '2D 1H-1H TOCSY' . . . 31008 1 3 '2D 1H-1H NOESY' . . . 31008 1 4 '2D 1H-1H TOCSY' . . . 31008 1 5 '2D 1H-1H NOESY' . . . 31008 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 7 7 G H1 H 1 13.370 0.00 . . . . . . A 7 G H1 . 31008 1 2 . 1 . 1 7 7 G H1' H 1 5.715 0.00 . . . . . . A 7 G H1' . 31008 1 3 . 1 . 1 7 7 G H8 H 1 7.690 0.00 . . . . . . A 7 G H8 . 31008 1 4 . 1 . 1 7 7 G HO2' H 1 4.413 0.00 . . . . . . A 7 G HO2' . 31008 1 5 . 1 . 1 8 8 U H1' H 1 5.449 0.00 . . . . . . A 8 U H1' . 31008 1 6 . 1 . 1 8 8 U H3 H 1 13.485 0.00 . . . . . . A 8 U H3 . 31008 1 7 . 1 . 1 8 8 U H6 H 1 7.661 0.00 . . . . . . A 8 U H6 . 31008 1 8 . 1 . 1 8 8 U HO2' H 1 4.410 0.00 . . . . . . A 8 U HO2' . 31008 1 9 . 1 . 1 9 9 U H1' H 1 5.512 0.00 . . . . . . A 9 U H1' . 31008 1 10 . 1 . 1 9 9 U H3 H 1 14.025 0.00 . . . . . . A 9 U H3 . 31008 1 11 . 1 . 1 9 9 U H6 H 1 7.855 0.00 . . . . . . A 9 U H6 . 31008 1 12 . 1 . 1 9 9 U HO2' H 1 4.388 0.00 . . . . . . A 9 U HO2' . 31008 1 13 . 1 . 1 10 10 A H1' H 1 5.899 0.00 . . . . . . A 10 A H1' . 31008 1 14 . 1 . 1 10 10 A H2 H 1 6.746 0.00 . . . . . . A 10 A H2 . 31008 1 15 . 1 . 1 10 10 A H8 H 1 8.066 0.00 . . . . . . A 10 A H8 . 31008 1 16 . 1 . 1 10 10 A HO2' H 1 4.600 0.00 . . . . . . A 10 A HO2' . 31008 1 17 . 1 . 1 11 11 G H1 H 1 13.396 0.00 . . . . . . A 11 G H1 . 31008 1 18 . 1 . 1 11 11 G H1' H 1 5.340 0.00 . . . . . . A 11 G H1' . 31008 1 19 . 1 . 1 11 11 G H8 H 1 6.910 0.00 . . . . . . A 11 G H8 . 31008 1 20 . 1 . 1 11 11 G HO2' H 1 4.403 0.00 . . . . . . A 11 G HO2' . 31008 1 21 . 1 . 1 12 12 U H1' H 1 5.263 0.00 . . . . . . A 12 U H1' . 31008 1 22 . 1 . 1 12 12 U H6 H 1 7.436 0.00 . . . . . . A 12 U H6 . 31008 1 23 . 1 . 1 12 12 U HO2' H 1 4.175 0.00 . . . . . . A 12 U HO2' . 31008 1 24 . 1 . 1 13 13 C H1' H 1 5.380 0.00 . . . . . . A 13 C H1' . 31008 1 25 . 1 . 1 13 13 C H6 H 1 7.927 0.00 . . . . . . A 13 C H6 . 31008 1 26 . 1 . 1 13 13 C H41 H 1 8.252 0.00 . . . . . . A 13 C H41 . 31008 1 27 . 1 . 1 13 13 C H42 H 1 6.800 0.00 . . . . . . A 13 C H42 . 31008 1 28 . 1 . 1 13 13 C HO2' H 1 4.174 0.00 . . . . . . A 13 C HO2' . 31008 1 29 . 1 . 1 14 14 U H1' H 1 5.427 0.00 . . . . . . A 14 U H1' . 31008 1 30 . 1 . 1 14 14 U H3 H 1 14.142 0.00 . . . . . . A 14 U H3 . 31008 1 31 . 1 . 1 14 14 U H6 H 1 7.931 0.00 . . . . . . A 14 U H6 . 31008 1 32 . 1 . 1 14 14 U HO2' H 1 4.467 0.00 . . . . . . A 14 U HO2' . 31008 1 33 . 1 . 1 15 15 A H1' H 1 5.951 0.00 . . . . . . A 15 A H1' . 31008 1 34 . 1 . 1 15 15 A H2 H 1 6.320 0.00 . . . . . . A 15 A H2 . 31008 1 35 . 1 . 1 15 15 A H8 H 1 8.104 0.00 . . . . . . A 15 A H8 . 31008 1 36 . 1 . 1 15 15 A HO2' H 1 4.418 0.00 . . . . . . A 15 A HO2' . 31008 1 37 . 1 . 1 16 16 C H1' H 1 5.404 0.00 . . . . . . A 16 C H1' . 31008 1 38 . 1 . 1 16 16 C H6 H 1 7.376 0.00 . . . . . . A 16 C H6 . 31008 1 39 . 1 . 1 16 16 C H41 H 1 8.225 0.00 . . . . . . A 16 C H41 . 31008 1 40 . 1 . 1 16 16 C H42 H 1 6.977 0.00 . . . . . . A 16 C H42 . 31008 1 41 . 1 . 1 16 16 C HO2' H 1 4.373 0.00 . . . . . . A 16 C HO2' . 31008 1 42 . 1 . 1 17 17 G H1 H 1 12.819 0.00 . . . . . . A 17 G H1 . 31008 1 43 . 1 . 1 17 17 G H1' H 1 5.562 0.00 . . . . . . A 17 G H1' . 31008 1 44 . 1 . 1 17 17 G H8 H 1 7.377 0.00 . . . . . . A 17 G H8 . 31008 1 45 . 1 . 1 17 17 G HO2' H 1 4.307 0.00 . . . . . . A 17 G HO2' . 31008 1 46 . 1 . 1 18 18 U H3 H 1 13.305 0.00 . . . . . . A 18 U H3 . 31008 1 47 . 1 . 1 18 18 U H6 H 1 7.442 0.00 . . . . . . A 18 U H6 . 31008 1 48 . 1 . 1 22 22 C H1' H 1 5.394 0.00 . . . . . . A 22 C H1' . 31008 1 49 . 1 . 1 22 22 C H6 H 1 7.580 0.00 . . . . . . A 22 C H6 . 31008 1 50 . 1 . 1 22 22 C H41 H 1 7.946 0.00 . . . . . . A 22 C H41 . 31008 1 51 . 1 . 1 22 22 C H42 H 1 6.400 0.00 . . . . . . A 22 C H42 . 31008 1 52 . 1 . 1 22 22 C HO2' H 1 4.415 0.00 . . . . . . A 22 C HO2' . 31008 1 53 . 1 . 1 23 23 C H1' H 1 5.563 0.00 . . . . . . A 23 C H1' . 31008 1 54 . 1 . 1 23 23 C H6 H 1 7.621 0.00 . . . . . . A 23 C H6 . 31008 1 55 . 1 . 1 23 23 C H41 H 1 8.101 0.00 . . . . . . A 23 C H41 . 31008 1 56 . 1 . 1 23 23 C H42 H 1 6.609 0.00 . . . . . . A 23 C H42 . 31008 1 57 . 1 . 1 23 23 C HO2' H 1 4.578 0.00 . . . . . . A 23 C HO2' . 31008 1 58 . 1 . 1 24 24 G H1 H 1 11.703 0.00 . . . . . . A 24 G H1 . 31008 1 59 . 1 . 1 24 24 G H1' H 1 5.617 0.00 . . . . . . A 24 G H1' . 31008 1 60 . 1 . 1 24 24 G H8 H 1 7.445 0.00 . . . . . . A 24 G H8 . 31008 1 61 . 1 . 1 24 24 G HO2' H 1 4.601 0.00 . . . . . . A 24 G HO2' . 31008 1 62 . 1 . 1 25 25 A H1' H 1 5.609 0.00 . . . . . . A 25 A H1' . 31008 1 63 . 1 . 1 25 25 A H8 H 1 7.919 0.00 . . . . . . A 25 A H8 . 31008 1 64 . 1 . 1 25 25 A HO2' H 1 4.067 0.00 . . . . . . A 25 A HO2' . 31008 1 65 . 1 . 1 26 26 C H1' H 1 5.255 0.00 . . . . . . A 26 C H1' . 31008 1 66 . 1 . 1 26 26 C H6 H 1 7.519 0.00 . . . . . . A 26 C H6 . 31008 1 67 . 1 . 1 26 26 C HO2' H 1 3.990 0.00 . . . . . . A 26 C HO2' . 31008 1 68 . 1 . 1 27 27 A H1' H 1 5.668 0.00 . . . . . . A 27 A H1' . 31008 1 69 . 1 . 1 27 27 A H8 H 1 8.214 0.00 . . . . . . A 27 A H8 . 31008 1 70 . 1 . 1 27 27 A HO2' H 1 4.442 0.00 . . . . . . A 27 A HO2' . 31008 1 71 . 1 . 1 28 28 A H1' H 1 5.739 0.00 . . . . . . A 28 A H1' . 31008 1 72 . 1 . 1 28 28 A H8 H 1 7.713 0.00 . . . . . . A 28 A H8 . 31008 1 73 . 1 . 1 28 28 A HO2' H 1 4.764 0.00 . . . . . . A 28 A HO2' . 31008 1 74 . 1 . 1 29 29 G H8 H 1 7.324 0.00 . . . . . . A 29 G H8 . 31008 1 75 . 1 . 1 30 30 A H2 H 1 7.001 0.00 . . . . . . A 30 A H2 . 31008 1 76 . 1 . 1 31 31 C H41 H 1 8.724 0.00 . . . . . . A 31 C H41 . 31008 1 77 . 1 . 1 31 31 C H42 H 1 6.383 0.00 . . . . . . A 31 C H42 . 31008 1 78 . 1 . 1 32 32 U H1' H 1 5.552 0.00 . . . . . . A 32 U H1' . 31008 1 79 . 1 . 1 32 32 U H6 H 1 7.653 0.00 . . . . . . A 32 U H6 . 31008 1 80 . 1 . 1 32 32 U HO2' H 1 3.679 0.00 . . . . . . A 32 U HO2' . 31008 1 81 . 1 . 1 33 33 U H1' H 1 6.021 0.00 . . . . . . A 33 U H1' . 31008 1 82 . 1 . 1 33 33 U H6 H 1 7.941 0.00 . . . . . . A 33 U H6 . 31008 1 83 . 1 . 1 33 33 U HO2' H 1 4.578 0.00 . . . . . . A 33 U HO2' . 31008 1 84 . 1 . 1 34 34 C H1' H 1 5.874 0.00 . . . . . . A 34 C H1' . 31008 1 85 . 1 . 1 34 34 C H6 H 1 7.614 0.00 . . . . . . A 34 C H6 . 31008 1 86 . 1 . 1 34 34 C HO2' H 1 4.010 0.00 . . . . . . A 34 C HO2' . 31008 1 87 . 1 . 1 35 35 G H1' H 1 5.885 0.00 . . . . . . A 35 G H1' . 31008 1 88 . 1 . 1 35 35 G H8 H 1 7.780 0.00 . . . . . . A 35 G H8 . 31008 1 89 . 1 . 1 35 35 G HO2' H 1 4.732 0.00 . . . . . . A 35 G HO2' . 31008 1 90 . 1 . 1 36 36 G H1 H 1 13.364 0.00 . . . . . . A 36 G H1 . 31008 1 91 . 1 . 1 36 36 G H1' H 1 5.470 0.00 . . . . . . A 36 G H1' . 31008 1 92 . 1 . 1 36 36 G H8 H 1 8.239 0.00 . . . . . . A 36 G H8 . 31008 1 93 . 1 . 1 36 36 G HO2' H 1 4.521 0.00 . . . . . . A 36 G HO2' . 31008 1 94 . 1 . 1 37 37 U H1' H 1 5.339 0.00 . . . . . . A 37 U H1' . 31008 1 95 . 1 . 1 37 37 U H3 H 1 13.488 0.00 . . . . . . A 37 U H3 . 31008 1 96 . 1 . 1 37 37 U H6 H 1 7.428 0.00 . . . . . . A 37 U H6 . 31008 1 97 . 1 . 1 37 37 U HO2' H 1 4.577 0.00 . . . . . . A 37 U HO2' . 31008 1 98 . 1 . 1 38 38 C H1' H 1 5.416 0.00 . . . . . . A 38 C H1' . 31008 1 99 . 1 . 1 38 38 C H6 H 1 7.896 0.00 . . . . . . A 38 C H6 . 31008 1 100 . 1 . 1 38 38 C HO2' H 1 4.277 0.00 . . . . . . A 38 C HO2' . 31008 1 101 . 1 . 1 39 39 G H1' H 1 5.737 0.00 . . . . . . A 39 G H1' . 31008 1 102 . 1 . 1 39 39 G H8 H 1 8.039 0.00 . . . . . . A 39 G H8 . 31008 1 103 . 1 . 1 39 39 G HO2' H 1 4.829 0.00 . . . . . . A 39 G HO2' . 31008 1 104 . 1 . 1 42 42 U H1' H 1 5.710 0.00 . . . . . . A 42 U H1' . 31008 1 105 . 1 . 1 42 42 U H6 H 1 7.674 0.00 . . . . . . A 42 U H6 . 31008 1 106 . 1 . 1 42 42 U HO2' H 1 4.282 0.00 . . . . . . A 42 U HO2' . 31008 1 107 . 1 . 1 43 43 C H1' H 1 5.714 0.00 . . . . . . A 43 C H1' . 31008 1 108 . 1 . 1 43 43 C H6 H 1 7.652 0.00 . . . . . . A 43 C H6 . 31008 1 109 . 1 . 1 43 43 C H41 H 1 8.020 0.00 . . . . . . A 43 C H41 . 31008 1 110 . 1 . 1 43 43 C H42 H 1 6.668 0.00 . . . . . . A 43 C H42 . 31008 1 111 . 1 . 1 43 43 C HO2' H 1 4.464 0.00 . . . . . . A 43 C HO2' . 31008 1 112 . 1 . 1 44 44 G H1 H 1 12.020 0.00 . . . . . . A 44 G H1 . 31008 1 113 . 1 . 1 44 44 G H1' H 1 5.537 0.00 . . . . . . A 44 G H1' . 31008 1 114 . 1 . 1 44 44 G H8 H 1 7.693 0.00 . . . . . . A 44 G H8 . 31008 1 115 . 1 . 1 44 44 G HO2' H 1 4.573 0.00 . . . . . . A 44 G HO2' . 31008 1 116 . 1 . 1 45 45 G H1 H 1 12.261 0.00 . . . . . . A 45 G H1 . 31008 1 117 . 1 . 1 45 45 G H1' H 1 5.665 0.00 . . . . . . A 45 G H1' . 31008 1 118 . 1 . 1 45 45 G H8 H 1 7.708 0.00 . . . . . . A 45 G H8 . 31008 1 119 . 1 . 1 45 45 G HO2' H 1 4.628 0.00 . . . . . . A 45 G HO2' . 31008 1 120 . 1 . 1 46 46 A H8 H 1 8.131 0.00 . . . . . . A 46 A H8 . 31008 1 121 . 1 . 1 48 48 G H1 H 1 12.433 0.00 . . . . . . A 48 G H1 . 31008 1 122 . 1 . 1 53 53 C H1' H 1 5.873 0.00 . . . . . . A 53 C H1' . 31008 1 123 . 1 . 1 53 53 C H6 H 1 8.163 0.00 . . . . . . A 53 C H6 . 31008 1 124 . 1 . 1 53 53 C H41 H 1 8.219 0.00 . . . . . . A 53 C H41 . 31008 1 125 . 1 . 1 53 53 C H42 H 1 6.808 0.00 . . . . . . A 53 C H42 . 31008 1 126 . 1 . 1 53 53 C HO2' H 1 4.586 0.00 . . . . . . A 53 C HO2' . 31008 1 127 . 1 . 1 54 54 U H1' H 1 5.166 0.00 . . . . . . A 54 U H1' . 31008 1 128 . 1 . 1 54 54 U H6 H 1 7.629 0.00 . . . . . . A 54 U H6 . 31008 1 129 . 1 . 1 54 54 U HO2' H 1 4.253 0.00 . . . . . . A 54 U HO2' . 31008 1 130 . 1 . 1 55 55 U H1' H 1 5.506 0.00 . . . . . . A 55 U H1' . 31008 1 131 . 1 . 1 55 55 U H6 H 1 7.626 0.00 . . . . . . A 55 U H6 . 31008 1 132 . 1 . 1 55 55 U HO2' H 1 4.357 0.00 . . . . . . A 55 U HO2' . 31008 1 133 . 1 . 1 56 56 A H1' H 1 5.959 0.00 . . . . . . A 56 A H1' . 31008 1 134 . 1 . 1 56 56 A H8 H 1 7.759 0.00 . . . . . . A 56 A H8 . 31008 1 135 . 1 . 1 56 56 A HO2' H 1 4.340 0.00 . . . . . . A 56 A HO2' . 31008 1 136 . 1 . 1 57 57 A H1' H 1 5.761 0.00 . . . . . . A 57 A H1' . 31008 1 137 . 1 . 1 57 57 A H2 H 1 7.000 0.00 . . . . . . A 57 A H2 . 31008 1 138 . 1 . 1 57 57 A H8 H 1 7.455 0.00 . . . . . . A 57 A H8 . 31008 1 139 . 1 . 1 57 57 A HO2' H 1 4.603 0.00 . . . . . . A 57 A HO2' . 31008 1 140 . 1 . 1 58 58 C H6 H 1 7.301 0.00 . . . . . . A 58 C H6 . 31008 1 141 . 1 . 1 58 58 C H41 H 1 8.069 0.00 . . . . . . A 58 C H41 . 31008 1 142 . 1 . 1 58 58 C H42 H 1 6.676 0.00 . . . . . . A 58 C H42 . 31008 1 143 . 1 . 1 59 59 G H1 H 1 13.179 0.00 . . . . . . A 59 G H1 . 31008 1 144 . 1 . 1 59 59 G H1' H 1 5.284 0.00 . . . . . . A 59 G H1' . 31008 1 145 . 1 . 1 59 59 G HO2' H 1 4.299 0.00 . . . . . . A 59 G HO2' . 31008 1 146 . 1 . 1 60 60 U H1' H 1 5.397 0.00 . . . . . . A 60 U H1' . 31008 1 147 . 1 . 1 60 60 U H3 H 1 12.963 0.00 . . . . . . A 60 U H3 . 31008 1 148 . 1 . 1 60 60 U H6 H 1 7.642 0.00 . . . . . . A 60 U H6 . 31008 1 149 . 1 . 1 60 60 U HO2' H 1 4.519 0.00 . . . . . . A 60 U HO2' . 31008 1 150 . 1 . 1 61 61 A H1' H 1 5.837 0.00 . . . . . . A 61 A H1' . 31008 1 151 . 1 . 1 61 61 A H2 H 1 7.570 0.00 . . . . . . A 61 A H2 . 31008 1 152 . 1 . 1 61 61 A H8 H 1 7.949 0.00 . . . . . . A 61 A H8 . 31008 1 153 . 1 . 1 61 61 A HO2' H 1 4.454 0.00 . . . . . . A 61 A HO2' . 31008 1 154 . 1 . 1 62 62 G H1 H 1 13.210 0.00 . . . . . . A 62 G H1 . 31008 1 155 . 1 . 1 62 62 G H1' H 1 5.629 0.00 . . . . . . A 62 G H1' . 31008 1 156 . 1 . 1 62 62 G H8 H 1 7.238 0.00 . . . . . . A 62 G H8 . 31008 1 157 . 1 . 1 62 62 G HO2' H 1 4.206 0.00 . . . . . . A 62 G HO2' . 31008 1 158 . 1 . 1 63 63 U H1' H 1 5.835 0.00 . . . . . . A 63 U H1' . 31008 1 159 . 1 . 1 63 63 U H6 H 1 7.800 0.00 . . . . . . A 63 U H6 . 31008 1 160 . 1 . 1 63 63 U HO2' H 1 4.306 0.00 . . . . . . A 63 U HO2' . 31008 1 161 . 1 . 1 64 64 U H1' H 1 5.529 0.00 . . . . . . A 64 U H1' . 31008 1 162 . 1 . 1 64 64 U H6 H 1 7.788 0.00 . . . . . . A 64 U H6 . 31008 1 163 . 1 . 1 64 64 U HO2' H 1 4.442 0.00 . . . . . . A 64 U HO2' . 31008 1 164 . 1 . 1 65 65 C H1' H 1 5.590 0.00 . . . . . . A 65 C H1' . 31008 1 165 . 1 . 1 65 65 C H6 H 1 7.911 0.00 . . . . . . A 65 C H6 . 31008 1 166 . 1 . 1 65 65 C H41 H 1 8.219 0.00 . . . . . . A 65 C H41 . 31008 1 167 . 1 . 1 65 65 C HO2' H 1 4.340 0.00 . . . . . . A 65 C HO2' . 31008 1 168 . 1 . 1 66 66 U H1' H 1 5.441 0.00 . . . . . . A 66 U H1' . 31008 1 169 . 1 . 1 66 66 U H3 H 1 12.849 0.00 . . . . . . A 66 U H3 . 31008 1 170 . 1 . 1 66 66 U H6 H 1 7.738 0.00 . . . . . . A 66 U H6 . 31008 1 171 . 1 . 1 66 66 U HO2' H 1 4.554 0.00 . . . . . . A 66 U HO2' . 31008 1 172 . 1 . 1 67 67 A H1' H 1 5.854 0.00 . . . . . . A 67 A H1' . 31008 1 173 . 1 . 1 67 67 A H2 H 1 7.664 0.00 . . . . . . A 67 A H2 . 31008 1 174 . 1 . 1 67 67 A H8 H 1 7.061 0.00 . . . . . . A 67 A H8 . 31008 1 175 . 1 . 1 67 67 A HO2' H 1 4.445 0.00 . . . . . . A 67 A HO2' . 31008 1 176 . 1 . 1 68 68 A H1' H 1 5.793 0.00 . . . . . . A 68 A H1' . 31008 1 177 . 1 . 1 68 68 A H2 H 1 6.744 0.00 . . . . . . A 68 A H2 . 31008 1 178 . 1 . 1 68 68 A H8 H 1 7.836 0.00 . . . . . . A 68 A H8 . 31008 1 179 . 1 . 1 68 68 A HO2' H 1 4.360 0.00 . . . . . . A 68 A HO2' . 31008 1 180 . 1 . 1 69 69 C H1' H 1 5.259 0.00 . . . . . . A 69 C H1' . 31008 1 181 . 1 . 1 69 69 C H6 H 1 7.370 0.00 . . . . . . A 69 C H6 . 31008 1 182 . 1 . 1 69 69 C H41 H 1 8.400 0.00 . . . . . . A 69 C H41 . 31008 1 183 . 1 . 1 69 69 C H42 H 1 6.860 0.00 . . . . . . A 69 C H42 . 31008 1 184 . 1 . 1 69 69 C HO2' H 1 3.982 0.00 . . . . . . A 69 C HO2' . 31008 1 185 . 1 . 1 70 70 C H6 H 1 7.519 0.00 . . . . . . A 70 C H6 . 31008 1 stop_ save_